2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide

C15H17ClFN3O — CID 133388131

IUPAC2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccc2c(Cl)ccnc2c1F)C(C)C
InChIInChI=1S/C15H17ClFN3O/c1-8(2)13(15(21)18-3)20-11-5-4-9-10(16)6-7-19-14(9)12(11)17/h4-8,13,20H,1-3H3,(H,18,21)
InChIKeyLOYBNLXIFDDAKJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.21
Rot. Bonds4

About 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide

2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide (PubChem CID 133388131) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
PubChem CID133388131
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccc2c(Cl)ccnc2c1F)C(C)C
InChIInChI=1S/C15H17ClFN3O/c1-8(2)13(15(21)18-3)20-11-5-4-9-10(16)6-7-19-14(9)12(11)17/h4-8,13,20H,1-3H3,(H,18,21)
InChIKeyLOYBNLXIFDDAKJ-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
CID 133494841
4-chloro-8-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-7-amine
CID 133337191
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
CID 133328011
4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
CID 133354034
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
CID 133297743
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
1-[5-[(4-chloro-8-fluoroquinolin-7-yl)amino]-8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133476074
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
CID 133394626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide (CID 133388131) is 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide is CNC(=O)C(Nc1ccc2c(Cl)ccnc2c1F)C(C)C.
What is the InChIKey of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide?
The InChIKey is LOYBNLXIFDDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-8(2)13(15(21)18-3)20-11-5-4-9-10(16)6-7-19-14(9)12(11)17/h4-8,13,20H,1-3H3,(H,18,21).
What are the key properties of 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide?
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide has a molecular weight of 309.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 133388131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).